11-methyl-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-oxa-6,8,16-triaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-phenyl-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-thia-6,8,16-triaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-(trideuteriomethyl)-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene

C78H56N23OS+5 — CID 159973369

IUPAC11-methyl-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-oxa-6,8,16-triaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-phenyl-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-thia-6,8,16-triaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-(trideuteriomethyl)-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene
SMILESCn1c2[n+](c3c1cn1cnccc31)Cc1cnccc1-2.[2H]C([2H])([2H])n1c2[n+](c3c1cn1cnccc31)Cc1cnccc1-2.c1cc2c(cn1)C[n+]1c-2oc2cn3cnccc3c21.c1cc2c(cn1)C[n+]1c-2sc2cn3cnccc3c21.c1ccc(-n2c3[n+](c4c2cn2cnccc42)Cc2cnccc2-3)cc1
InChIInChI=1S/C20H14N5.2C15H12N5.C14H9N4O.C14H9N4S/c1-2-4-15(5-3-1)25-18-12-23-13-22-9-7-17(23)19(18)24-11-14-10-21-8-6-16(14)20(24)25;2*1-18-13-8-19-9-17-5-3-12(19)14(13)20-7-10-6-16-4-2-11(10)15(18)20;2*1-3-15-5-9-6-18-13-11-2-4-16-8-17(11)7-12(13)19-14(18)10(1)9/h1-10,12-13H,11H2;2*2-6,8-9H,7H2,1H3;2*1-5,7-8H,6H2/q5*+1/i;1D3;;;
InChIKeyKFWNDXXJTUVNHO-IOWXISALSA-N
MW1366.55 g/mol
LogP10.12
Rot. Bonds2

About 11-methyl-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-oxa-6,8,16-triaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-phenyl-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-thia-6,8,16-triaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-(trideuteriomethyl)-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene

11-methyl-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-oxa-6,8,16-triaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-phenyl-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-thia-6,8,16-triaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-(trideuteriomethyl)-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene (PubChem CID 159973369) has the molecular formula C78H56N23OS+5 and a molecular weight of 1366.55 g/mol. Its IUPAC name is 11-methyl-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-oxa-6,8,16-triaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-phenyl-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-thia-6,8,16-triaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-(trideuteriomethyl)-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene.

Molecular Properties

Compound Name11-methyl-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-oxa-6,8,16-triaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-phenyl-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-thia-6,8,16-triaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-(trideuteriomethyl)-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene
PubChem CID159973369
Molecular FormulaC78H56N23OS+5
Molecular Weight1366.55 g/mol
Exact Mass1365.49
IUPAC Name11-methyl-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-oxa-6,8,16-triaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-phenyl-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-thia-6,8,16-triaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-(trideuteriomethyl)-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene
SMILESCn1c2[n+](c3c1cn1cnccc31)Cc1cnccc1-2.[2H]C([2H])([2H])n1c2[n+](c3c1cn1cnccc31)Cc1cnccc1-2.c1cc2c(cn1)C[n+]1c-2oc2cn3cnccc3c21.c1cc2c(cn1)C[n+]1c-2sc2cn3cnccc3c21.c1ccc(-n2c3[n+](c4c2cn2cnccc42)Cc2cnccc2-3)cc1
InChIInChI=1S/C20H14N5.2C15H12N5.C14H9N4O.C14H9N4S/c1-2-4-15(5-3-1)25-18-12-23-13-22-9-7-17(23)19(18)24-11-14-10-21-8-6-16(14)20(24)25;2*1-18-13-8-19-9-17-5-3-12(19)14(13)20-7-10-6-16-4-2-11(10)15(18)20;2*1-3-15-5-9-6-18-13-11-2-4-16-8-17(11)7-12(13)19-14(18)10(1)9/h1-10,12-13H,11H2;2*2-6,8-9H,7H2,1H3;2*1-5,7-8H,6H2/q5*+1/i;1D3;;;
InChIKeyKFWNDXXJTUVNHO-IOWXISALSA-N
XLogP10.12
TPSA198.28 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds2
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001366.55
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 11-methyl-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-oxa-6,8,16-triaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-phenyl-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-thia-6,8,16-triaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-(trideuteriomethyl)-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene with MolForge

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Related Compounds

6-[4-(1,1-Difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160025166
6-[4-(1,1-Difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160592384
Heptakis(2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine);2-[3-[2-(2,6-dimethylphenyl)-4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene-6-id-1-yl]pyridine;octakis(iridium);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;1-phenyl-2-phenylbenzimidazole;2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-phenylpyrimidine
CID 160721412
2-([1,3]Thiazolo[4,5-b]pyridin-6-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)-[1,3]oxazolo[4,5-b]pyridine
CID 126703147
2-([1,3]Thiazolo[4,5-b]pyridin-6-yl)-6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-[1,3]oxazolo[4,5-b]pyridine
CID 130267539
4-[13-(8-Thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 138721896
4-[13-(3,8,10,12-Tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-8-yl)-8-thia-3,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-8-oxa-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 138721914
12-(8-Oxa-3,6,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-11-yl)-4-(8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-8-oxa-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 138721915
12-(4,6,8,10-Tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)-4-(8-thia-3,10,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-6-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 138721916
4-(6-Pyrimido[5,4-b]indol-5-yl-[1]benzothiolo[2,3-d]pyrimidin-8-yl)-8-oxa-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 138721963
4-[13-(8-Thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-8-oxa-3,6,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 138721964
12-[13-(3,5,8,13-Tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-6-yl]-8-oxa-3,6,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 138721966

Frequently Asked Questions

What is the IUPAC name of 11-methyl-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-oxa-6,8,16-triaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-phenyl-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-thia-6,8,16-triaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-(trideuteriomethyl)-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene?
The IUPAC name of 11-methyl-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-oxa-6,8,16-triaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-phenyl-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-thia-6,8,16-triaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-(trideuteriomethyl)-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene (CID 159973369) is 11-methyl-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-oxa-6,8,16-triaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-phenyl-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-thia-6,8,16-triaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-(trideuteriomethyl)-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene.
What is the SMILES notation for 11-methyl-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-oxa-6,8,16-triaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-phenyl-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-thia-6,8,16-triaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-(trideuteriomethyl)-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene?
The canonical SMILES for 11-methyl-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-oxa-6,8,16-triaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-phenyl-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-thia-6,8,16-triaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-(trideuteriomethyl)-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene is Cn1c2[n+](c3c1cn1cnccc31)Cc1cnccc1-2.[2H]C([2H])([2H])n1c2[n+](c3c1cn1cnccc31)Cc1cnccc1-2.c1cc2c(cn1)C[n+]1c-2oc2cn3cnccc3c21.c1cc2c(cn1)C[n+]1c-2sc2cn3cnccc3c21.c1ccc(-n2c3[n+](c4c2cn2cnccc42)Cc2cnccc2-3)cc1.
What is the InChIKey of 11-methyl-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-oxa-6,8,16-triaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-phenyl-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-thia-6,8,16-triaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-(trideuteriomethyl)-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene?
The InChIKey is KFWNDXXJTUVNHO-IOWXISALSA-N. The full InChI is InChI=1S/C20H14N5.2C15H12N5.C14H9N4O.C14H9N4S/c1-2-4-15(5-3-1)25-18-12-23-13-22-9-7-17(23)19(18)24-11-14-10-21-8-6-16(14)20(24)25;2*1-18-13-8-19-9-17-5-3-12(19)14(13)20-7-10-6-16-4-2-11(10)15(18)20;2*1-3-15-5-9-6-18-13-11-2-4-16-8-17(11)7-12(13)19-14(18)10(1)9/h1-10,12-13H,11H2;2*2-6,8-9H,7H2,1H3;2*1-5,7-8H,6H2/q5*+1/i;1D3;;;.
What are the key properties of 11-methyl-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-oxa-6,8,16-triaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-phenyl-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-thia-6,8,16-triaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-(trideuteriomethyl)-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene?
11-methyl-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-oxa-6,8,16-triaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-phenyl-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-thia-6,8,16-triaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-(trideuteriomethyl)-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene has a molecular weight of 1366.55 g/mol, XLogP of 10.12, 2 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-oxa-6,8,16-triaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-phenyl-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-thia-6,8,16-triaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-(trideuteriomethyl)-6,8,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene is sourced from PubChem (CID 159973369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).